Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 549.7 BDBM50306054

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50306054 ((S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-fluorophe...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(F)cc3)c2)CC1 |r| Show InChI InChI=1S/C33H44FN3O3/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-32(39)33(37)17-21-36(22-18-33)20-16-26-10-7-11-29(23-26)40-28-14-12-27(34)13-15-28/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,39)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization				Bioorg Med Chem Lett 20: 763-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.018 BindingDB Entry DOI: 10.7270/Q2NK3F4P
					More data for this Ligand-Target Pair